==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-FEB-07 2OWN . COMPND 2 MOLECULE: PUTATIVE OLEOYL-[ACYL-CARRIER PROTEIN] THIOESTERA . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 514 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 45 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 1 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 0 0 2 4 1 4 4 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A T > 0 0 154 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 137.8 9.1 3.0 16.4 2 4 A L T 3 + 0 0 50 1,-0.3 85,-0.1 2,-0.1 84,-0.1 -0.364 360.0 2.5 -61.6 124.5 9.4 4.0 12.7 3 5 A G T > S+ 0 0 0 83,-0.2 3,-1.6 -2,-0.1 -1,-0.3 0.565 83.8 139.2 73.0 14.1 13.1 4.6 11.8 4 6 A A T < S+ 0 0 52 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.814 77.8 43.2 -56.2 -35.9 14.4 3.7 15.4 5 7 A N T 3 S+ 0 0 163 -4,-0.3 -1,-0.3 81,-0.1 2,-0.2 0.338 90.6 109.3 -93.2 4.7 17.4 1.8 13.7 6 8 A A S < S- 0 0 8 -3,-1.6 130,-0.2 1,-0.1 131,-0.1 -0.507 85.0 -87.4 -78.6 149.9 18.1 4.6 11.1 7 9 A S - 0 0 50 128,-1.8 2,-0.7 78,-0.2 78,-0.4 -0.334 32.3-149.7 -62.6 135.6 21.3 6.6 11.7 8 10 A L - 0 0 103 76,-0.1 2,-0.4 -3,-0.1 76,-0.2 -0.881 17.4-167.9-110.8 90.4 21.0 9.6 14.0 9 11 A Y E -A 83 0A 74 74,-2.2 74,-3.3 -2,-0.7 2,-0.3 -0.696 10.3-177.7 -81.2 135.2 23.6 12.1 12.6 10 12 A S E +A 82 0A 72 -2,-0.4 2,-0.3 72,-0.3 72,-0.2 -0.940 13.4 171.9-137.4 154.1 24.4 15.1 14.9 11 13 A E E -A 81 0A 28 70,-1.6 70,-2.9 -2,-0.3 2,-0.3 -0.973 29.4-114.2-153.9 158.6 26.5 18.2 15.0 12 14 A Q E -A 80 0A 145 -2,-0.3 2,-0.3 68,-0.2 68,-0.2 -0.714 27.5-173.0 -98.2 144.8 26.9 21.4 17.2 13 15 A H E -A 79 0A 24 66,-2.5 66,-2.7 -2,-0.3 2,-0.6 -0.973 19.7-141.2-143.2 127.2 26.1 24.9 16.0 14 16 A R E -A 78 0A 72 -2,-0.3 2,-0.6 64,-0.2 64,-0.2 -0.770 25.4-132.1 -85.9 120.2 26.7 28.3 17.6 15 17 A I - 0 0 0 62,-2.8 61,-3.2 -2,-0.6 2,-0.1 -0.661 26.8-151.6 -75.7 116.6 23.7 30.6 16.9 16 18 A T > - 0 0 3 -2,-0.6 3,-1.0 59,-0.2 4,-0.2 -0.484 25.0-111.8 -88.2 161.0 25.2 33.9 15.7 17 19 A Y G > S+ 0 0 2 1,-0.2 3,-1.4 2,-0.2 7,-0.1 0.863 119.0 55.8 -55.8 -39.5 23.6 37.4 16.1 18 20 A Y G 3 S+ 0 0 31 1,-0.3 -1,-0.2 272,-0.1 273,-0.0 0.656 101.1 57.5 -70.3 -21.2 23.0 37.6 12.2 19 21 A E G < S+ 0 0 7 -3,-1.0 8,-1.7 2,-0.1 11,-0.3 0.428 103.4 74.2 -83.1 -5.1 21.1 34.3 12.4 20 22 A C B < S-L 26 0B 4 -3,-1.4 6,-0.3 6,-0.3 2,-0.1 -0.667 75.4-127.1-109.6 164.2 18.6 36.0 14.9 21 23 A D > - 0 0 19 4,-2.6 3,-1.9 -2,-0.2 4,-0.1 -0.275 52.1 -75.9 -92.3-175.5 15.8 38.5 14.7 22 24 A R T 3 S+ 0 0 72 405,-0.4 409,-0.2 1,-0.3 406,-0.1 0.614 128.0 62.7 -60.6 -17.9 15.6 41.8 16.8 23 25 A T T 3 S- 0 0 51 2,-0.2 -1,-0.3 407,-0.1 3,-0.1 0.395 116.9-109.0 -86.1 -0.4 14.5 39.7 20.0 24 26 A G S < S+ 0 0 15 -3,-1.9 51,-2.9 1,-0.3 2,-0.3 0.669 81.9 119.4 77.3 21.9 17.8 37.8 20.1 25 27 A R B S-M 74 0C 60 49,-0.2 -4,-2.6 -4,-0.1 -1,-0.3 -0.913 71.8 -96.9-120.1 146.9 16.2 34.5 18.9 26 28 A A B -L 20 0B 2 47,-3.4 -6,-0.3 -2,-0.3 2,-0.1 -0.229 40.3-125.5 -61.6 141.0 16.9 32.4 15.8 27 29 A T > - 0 0 10 -8,-1.7 4,-2.2 1,-0.1 -1,-0.1 -0.390 21.6-109.7 -82.2 165.0 14.5 33.0 12.8 28 30 A L H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.824 122.9 57.7 -60.0 -35.6 12.5 30.3 11.0 29 31 A T H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.952 108.9 44.9 -58.5 -50.7 14.9 30.8 8.0 30 32 A T H > S+ 0 0 6 -11,-0.3 4,-2.7 2,-0.2 5,-0.2 0.862 108.8 56.5 -59.9 -43.1 17.8 30.0 10.4 31 33 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.928 113.8 39.0 -56.9 -49.3 15.9 26.9 11.9 32 34 A I H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.881 113.2 57.6 -67.3 -43.1 15.5 25.4 8.4 33 35 A D H X S+ 0 0 7 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.912 112.1 39.9 -52.2 -48.3 19.1 26.5 7.4 34 36 A I H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.799 113.2 55.2 -74.7 -33.4 20.7 24.6 10.3 35 37 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.968 113.3 42.0 -59.7 -53.0 18.3 21.5 9.9 36 38 A V H X S+ 0 0 17 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.804 108.8 60.6 -64.3 -34.3 19.4 21.2 6.2 37 39 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.923 107.1 45.4 -57.2 -48.8 23.1 21.9 7.2 38 40 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 113.9 49.7 -61.0 -44.8 23.0 18.7 9.4 39 41 A S H X S+ 0 0 12 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.888 111.7 47.3 -61.9 -46.0 21.3 16.7 6.6 40 42 A E H X S+ 0 0 35 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.909 113.1 49.7 -64.0 -41.5 23.8 17.8 4.0 41 43 A D H X S+ 0 0 19 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.866 110.9 49.0 -64.3 -41.0 26.7 17.0 6.4 42 44 A Q H X S+ 0 0 4 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.951 115.0 45.4 -59.1 -51.9 25.2 13.5 7.1 43 45 A S H <>S+ 0 0 11 -4,-2.4 5,-2.7 1,-0.2 3,-0.4 0.896 112.1 50.5 -59.0 -46.7 24.9 13.0 3.3 44 46 A D H ><5S+ 0 0 53 -4,-3.1 3,-1.5 1,-0.2 5,-0.2 0.895 107.3 54.8 -58.5 -44.4 28.4 14.3 2.5 45 47 A A H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 109.1 48.1 -60.0 -32.3 29.9 11.9 5.2 46 48 A L T 3<5S- 0 0 74 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.363 122.9-104.2 -88.5 4.3 28.2 8.9 3.5 47 49 A G T < 5S+ 0 0 39 -3,-1.5 2,-1.2 -4,-0.2 -3,-0.2 0.442 87.1 126.7 81.3 6.2 29.5 10.0 -0.0 48 50 A L < + 0 0 6 -5,-2.7 -4,-0.2 -6,-0.2 -3,-0.1 -0.420 36.8 160.8 -93.6 58.9 25.9 11.3 -0.9 49 51 A T > - 0 0 48 -2,-1.2 4,-2.6 -5,-0.2 5,-0.2 -0.273 57.1-105.5 -75.2 163.5 27.3 14.7 -1.9 50 52 A T H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.885 124.1 49.8 -57.6 -39.3 25.3 17.2 -4.2 51 53 A E H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.885 111.6 47.8 -65.8 -43.3 27.7 16.3 -7.1 52 54 A X H 4 S+ 0 0 59 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.888 113.4 47.0 -65.4 -44.7 27.2 12.5 -6.5 53 55 A V H ><>S+ 0 0 12 -4,-2.6 3,-1.5 1,-0.2 5,-1.0 0.936 112.2 50.5 -62.2 -48.1 23.4 12.7 -6.4 54 56 A Q H ><5S+ 0 0 72 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.786 99.2 66.0 -60.5 -30.9 23.4 15.0 -9.5 55 57 A S T 3<5S+ 0 0 92 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.638 95.6 58.3 -65.5 -19.3 25.6 12.3 -11.4 56 58 A H T < 5S- 0 0 79 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.249 120.5-109.5 -90.3 10.6 22.6 9.9 -11.1 57 59 A G T < 5S+ 0 0 28 -3,-1.7 62,-2.5 1,-0.3 63,-0.6 0.618 85.5 97.8 70.1 18.8 20.3 12.4 -13.1 58 60 A V E < -B 118 0A 8 -5,-1.0 2,-0.3 60,-0.3 -1,-0.3 -0.782 51.0-161.5-133.1 168.7 18.2 13.2 -10.0 59 61 A G E -B 117 0A 11 58,-1.7 58,-3.3 -2,-0.2 2,-0.4 -0.978 24.9-116.8-151.8 142.5 17.8 15.7 -7.2 60 62 A W E -B 116 0A 60 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.691 30.3-174.7 -81.9 135.5 16.1 15.8 -3.7 61 63 A V E -B 115 0A 55 54,-2.5 54,-2.7 -2,-0.4 2,-0.4 -1.000 21.2-133.4-132.6 127.7 13.2 18.3 -3.3 62 64 A V E +B 114 0A 6 -2,-0.4 52,-0.3 52,-0.2 3,-0.1 -0.669 22.5 177.7 -81.6 129.5 11.3 18.9 0.0 63 65 A T E + 0 0 31 50,-3.0 143,-2.5 -2,-0.4 2,-0.3 0.687 64.3 16.9-100.3 -32.6 7.5 18.9 -0.4 64 66 A Q E -BC 113 205A 31 49,-1.5 49,-1.8 141,-0.2 2,-0.3 -0.997 50.2-170.2-148.3 149.2 6.5 19.4 3.2 65 67 A Y E -BC 112 204A 4 139,-1.8 139,-3.0 -2,-0.3 2,-0.4 -0.977 3.1-170.0-131.2 138.7 7.7 20.4 6.7 66 68 A A E -BC 111 203A 8 45,-2.2 45,-2.6 -2,-0.3 2,-0.4 -0.989 17.4-168.4-126.4 120.2 5.8 20.1 10.1 67 69 A I E -BC 110 202A 0 135,-3.1 135,-2.0 -2,-0.4 2,-0.6 -0.978 14.2-164.5-122.1 121.5 7.7 22.0 12.8 68 70 A D E -BC 109 201A 69 41,-3.1 41,-2.3 -2,-0.4 2,-0.5 -0.949 14.8-163.4-101.6 118.0 6.9 21.7 16.6 69 71 A I E +B 108 0A 12 131,-3.2 39,-0.2 -2,-0.6 3,-0.1 -0.935 25.7 166.3-109.8 119.7 8.6 24.7 18.4 70 72 A T S S- 0 0 101 37,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.838 82.6 -21.0 -87.2 -53.4 9.1 24.5 22.3 71 73 A R S S- 0 0 68 36,-1.7 -1,-0.4 129,-0.0 3,-0.1 -0.950 70.1-114.3-156.0 139.1 11.4 27.6 22.2 72 74 A X - 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